UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(3S)-3-hydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)-2-thienyl]methanone [(3S)-3-hydroxypyrrolidin-1-yl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.23 1.8 -21.56 1 7 0 84 265.298 2 ↓

Analogs

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Popular Name: [(3R)-3-hydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)-2-thienyl]methanone [(3R)-3-hydroxypyrrolidin-1-yl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.23 1.68 -22.42 1 7 0 84 265.298 2 ↓

Analogs

42878996
42878996
47902946
47902946
47902949
47902949
47902996
47902996
47902999
47902999

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Popular Name: (2R)-1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic (2R)-1-[3-(tetrazol-1-yl)thiophe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.54 6.08 -77.25 0 8 -1 104 292.3 3 ↓

Analogs

42878996
42878996
47902946
47902946
47902949
47902949
47902996
47902996
47902999
47902999

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic (2S)-1-[3-(tetrazol-1-yl)thiophe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.54 6.33 -76.7 0 8 -1 104 292.3 3 ↓

Analogs

40523209
40523209
40523212
40523212
42858138
42858138
47902999
47902999

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Popular Name: (2R,4R)-4-hydroxy-1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-[3-(tetrazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.45 2.69 -77.73 1 9 -1 124 308.299 3 ↓

Analogs

40523209
40523209
40523212
40523212
42858138
42858138
47902999
47902999

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-hydroxy-1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-[3-(tetrazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.45 2.69 -79.86 1 9 -1 124 308.299 3 ↓

Analogs

40523209
40523209
40523212
40523212
42858138
42858138
47902999
47902999

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-hydroxy-1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-[3-(tetrazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.45 2.95 -79.29 1 9 -1 124 308.299 3 ↓

Analogs

40523209
40523209
40523212
40523212
42858138
42858138
47902999
47902999

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-hydroxy-1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-[3-(tetrazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.45 2.95 -77.28 1 9 -1 124 308.299 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[3-(tetrazol-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.27 6 -65.44 0 8 -1 104 306.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[3-(tetrazol-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.27 6.18 -57.35 0 8 -1 104 306.327 3 ↓

Analogs

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Popular Name: 2-[(2R)-1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[3-(tetrazol-1-yl)thio…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.19 6.36 -70.66 0 8 -1 104 306.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[3-(tetrazol-1-yl)thio…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.19 6.41 -70.76 0 8 -1 104 306.327 4 ↓

Parameters Provided:

ring.id = 8662
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 8662 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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